52798-01-3

Basic information

• Product Name: METHYL (4-CYANOPHENYL)ACETATE
• Synonyms: METHYL (4-CYANOPHENYL)ACETATE;METHYL 2-(4-CYANOPHENYL)ACETATE;p-Cyanophenyl acetic acid methyl ester;Benzeneacetic acid, 4-cyano-, Methyl ester
• CAS NO: 52798-01-3
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18
• Product Categories: Aromatic Esters;pharmacetical
• Mol File: 52798-01-3.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 289.9 °C at 760 mmHg
• Flash Point: 132.9 °C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 0.00214mmHg at 25°C
• Refractive Index: 1.528
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL (4-CYANOPHENYL)ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL (4-CYANOPHENYL)ACETATE(52798-01-3)
• EPA Substance Registry System: METHYL (4-CYANOPHENYL)ACETATE(52798-01-3)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• Hazardous Substances Data: 52798-01-3(Hazardous Substances Data)

Usage

Uses

Methyl (4-cyanophenyl)acetate was a useful reagent in studying pyrazolopyridinones as functionally selective GABAA ligands.

InChI:InChI=1/C10H9NO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6H2,1H3

Upstream product

• 623-00-7 4-bromobenzenecarbonitrile 
• 96-34-4 methyl chloroacetate 
• 104-85-8 para-methylbenzonitrile 
• 79-22-1 methyl chloroformate 
• 557-21-1 dicyanozinc 
• 147283-85-0 (4-Trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester 
• 156-38-7 4-hydroxyphenylacetate 
• 14199-15-6 Methyl 4-hydroxyphenylacetate 
• 1878-68-8 2-(4-bromophenyl)-acetic acid 
• 557-21-1 zinc(II) cyanide 
• 41841-16-1 (4-bromo-phenyl)-acetic acid methyl ester 
• 17201-43-3 4-cyanobenzyl bromide 
• 67-56-1 methanol 
• 5462-71-5 4-cyanophenylacetic acid 

Downstream Products

• 79149-49-8 4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)benzonitrile 
• 79149-55-6 2-(4-cyanophenyl)-N,N-dimethylacetamide 
• 79149-59-0 2-(4-cyanophenyl)-N-methyl-acetamide 
• 444807-46-9 2-(4-(aminomethyl)phenyl)acetic acid methyl ester 
• 96524-70-8 methyl 2-(4-formylphenyl)acetate 
• 1011264-24-6 [4-(N-hydroxycarbamimidoyl)-phenyl]-acetic acid methyl ester 
• 927187-42-6 (4-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid methyl ester 
• 808753-03-9 [4-(methanesulfonylamino-methyl)-phenyl]-acetic acid methyl ester 
• 110626-68-1 2-(4-(methanesulfonoamidomethyl)phenyl)acetic acid 
• 808753-26-6 [4-(propane-2-sulfonylamino-methyl)-phenyl]-acetic acid methyl ester 
• 808753-25-5 [4-(ethanesulfonylamino-methyl)-phenyl]-acetic acid methyl ester 
• 808753-35-7 [4-(ethanesulfonylamino-methyl)-phenyl]-acetic acid 
• 191871-32-6 [4-(tert-butoxycarbonylamino-methyl)-phenyl]-acetic acid methyl ester 
• 808753-36-8 [4-(propane-2-sulfonylamino-methyl)-phenyl]-acetic acid 

Relevant articles and documents

Boryl Radical Activation of Benzylic C-OH Bond: Cross-Electrophile Coupling of Free Alcohols and CO2via Photoredox Catalysis

A new strategy for the direct cleavage of the C(sp3)-OH bond has been developed via activation of free alcohols with neutral diphenyl boryl radical generated from sodium tetraphenylborate under mild visible light photoredox conditions. This strategy has been verified by cross-electrophile coupling of free alcohols and carbon dioxide for the synthesis of carboxylic acids. Direct transformation of a range of primary, secondary, and tertiary benzyl alcohols to acids has been achieved. Control experiments and computational studies indicate that activation of alcohols with neutral boryl radical undergoes homolysis of the C(sp3)-OH bond, generating alkyl radicals. After reducing the alkyl radical into carbon anion under photoredox conditions, the following carboxylation with CO2 affords the coupling product.

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatment of diseases including heart ( e.g. ischemic heart disease, congestive heart failure, and valvular heart disease), lung (e.g., acute lung injury, pulmonary hypertension, pulmonary fibrosis, and chronic obstructive pulmonary disease), liver (e.g. acute liver failure and liver fibrosis and cirrhosis), and kidney (e.g. acute kidney injury and chronic kidney disease) disease.

B(C6F5)3-Catalyzed site-selective N1-alkylation of benzotriazoles with diazoalkanes

Alkylation of benzotriazoles is synthetically challenging, often leading to mixtures of N1 and N2 alkylation. Herein, metal-free catalytic site-selective N1-alkylation of benzotriazoles with diazoalkanes is described in the presence of 10 mol% of B(C6F5)3. These reactions provide N1-alkylated benzotriazoles in good to excellent yields and this protocol is successfully adapted to gram-scale syntheses as well as a derivative with antimicrobial activity.